2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid

C19H19NO6 — CID 108807431

IUPAC2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C19H19NO6/c1-11-3-7-17(26-2)14(9-11)15(21)6-8-18(23)20-12-4-5-13(19(24)25)16(22)10-12/h3-5,7,9-10,22H,6,8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyBQYUJNRTOZBJFD-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.01
Rot. Bonds7

About 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid

2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid (PubChem CID 108807431) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
PubChem CID108807431
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C19H19NO6/c1-11-3-7-17(26-2)14(9-11)15(21)6-8-18(23)20-12-4-5-13(19(24)25)16(22)10-12/h3-5,7,9-10,22H,6,8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyBQYUJNRTOZBJFD-UHFFFAOYSA-N
XLogP3.01
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid with MolForge

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Related Compounds

4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
CID 18107404
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108807471
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 108807479
4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide
CID 108807460
butyl 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoate
CID 108807478
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide
CID 94324381
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid (CID 108807431) is 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid is COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid?
The InChIKey is BQYUJNRTOZBJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-11-3-7-17(26-2)14(9-11)15(21)6-8-18(23)20-12-4-5-13(19(24)25)16(22)10-12/h3-5,7,9-10,22H,6,8H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid?
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid has a molecular weight of 357.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid is sourced from PubChem (CID 108807431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).